Focused On-demand Library for Centromere protein M

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q9NSP4

UPID:

CENPM_HUMAN

Alternative names:

Interphase centromere complex protein 39; Proliferation-associated nuclear element protein 1

Alternative UPACC:

Q9NSP4; A7LM22; B1AHQ9; Q6I9W3

Background:

Centromere protein M, also known as Interphase centromere complex protein 39 and Proliferation-associated nuclear element protein 1, plays a pivotal role in chromosome segregation during cell division. It is a key component of the CENPA-NAC complex, essential for the assembly of kinetochore proteins, mitotic progression, and accurate chromosome segregation. This protein's involvement in the recruitment of the CENPA-CAD complex and the incorporation of newly synthesized CENPA into centromeres underscores its critical function in genomic stability.

Therapeutic significance:

Understanding the role of Centromere protein M could open doors to potential therapeutic strategies. Its central role in mitotic progression and chromosome segregation makes it a potential target for cancer therapy, where regulation of cell division is often disrupted.